Vitas-M small molecule compound
3-{[(5,6,7-trimethoxy-3-oxo-1,3-dihydro-2-benzofuran-4-yl)methyl]sulfanyl}quinoxalin-2(1H)-one
Catalog ID
STK666514
SMILES COc1c(CSc2nc3ccccc3[nH]c2=O)c2C(=O)OCc2c(c1OC)OC
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H18N2O6S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6S/c1-25-15-10-8-28-20(24)14(10)11(16(26-2)17(15)27-3)9-29-19-18(23)21-12-6-4-5-7-13(12)22-19/h4-7H,8-9H2,1-3H3,(H,21,23)InChIKey
AOYSJQUPTGIJQQ-UHFFFAOYSA-NSynonyms
3(((567trimethoxy3oxo13dihydro2benzofuran4yl)methyl)sulfanyl)quinoxalin2(1H)one
3((567trimethoxy3oxo1H2benzofuran4yl)methylsulfanyl)1Hquinoxalin2one
456TRIMETHOXY7((3OXO(4HYDROQUINOXALIN2YLTHIO))METHYL)3HYDROISOBENZOFURAN1ONE
COC1=C(C(=C(C2=C1COC2=O)CSC3=NC4=CC=CC=C4NC3=O)OC)OC
COc1c(CSc2nc3ccccc3(nH)c2=O)c2C(=O)OCc2c(c1OC)OC
InChI=1SC20H18N2O6Sc125151082820(24)14(10)11(16(262)17(15)273)9291918(23)2112645713(12)2219h47H89H213H3(H2123)
MFCD09764060
ZINC000015084578
ZINC15084578
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